2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

C15H15ClF3N3O2 — CID 19537805

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1Cl
InChIInChI=1S/C15H15ClF3N3O2/c1-8-13(16)9(2)22(21-8)10(3)14(23)20-11-4-6-12(7-5-11)24-15(17,18)19/h4-7,10H,1-3H3,(H,20,23)
InChIKeyPSSOLKFWOZGUDH-UHFFFAOYSA-N
MW361.75 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 19537805) has the molecular formula C15H15ClF3N3O2 and a molecular weight of 361.75 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID19537805
Molecular FormulaC15H15ClF3N3O2
Molecular Weight361.75 g/mol
Exact Mass361.08
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1Cl
InChIInChI=1S/C15H15ClF3N3O2/c1-8-13(16)9(2)22(21-8)10(3)14(23)20-11-4-6-12(7-5-11)24-15(17,18)19/h4-7,10H,1-3H3,(H,20,23)
InChIKeyPSSOLKFWOZGUDH-UHFFFAOYSA-N
XLogP4.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19537773
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537824
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19537804
N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549421
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19537959
N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41445196
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 19537805) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1nn(C(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is PSSOLKFWOZGUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2/c1-8-13(16)9(2)22(21-8)10(3)14(23)20-11-4-6-12(7-5-11)24-15(17,18)19/h4-7,10H,1-3H3,(H,20,23).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 361.75 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 19537805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).